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Home > Nitro Compounds > 14001-69-5
14001-69-5 | Pyrimidine, 2-methoxy-5-nitro-
CAS No: 14001-69-5 Catalog No: AG001BXP MDL No:MFCD00474639
Product Description
Catalog Number:
AG001BXP
Chemical Name:
Pyrimidine, 2-methoxy-5-nitro-
CAS Number:
14001-69-5
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
MDL Number:
MFCD00474639
IUPAC Name:
2-methoxy-5-nitropyrimidine
InChI:
InChI=1S/C5H5N3O3/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
InChI Key:
ZPUHFIFABZPKHA-UHFFFAOYSA-N
SMILES:
COc1ncc(cn1)[N+](=O)[O-]
NSC Number:
528725
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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